Issue 335: Improve access to optimization values in Skyline UI

issues
Status:open
Assigned To:Nick Shulman
Type:Todo
Area:Skyline
Priority:3
Milestone:22.1
Opened:2014-06-11 14:23 by Brendan MacLean
Changed:2022-02-16 10:46 by Brendan MacLean
Resolved:
Resolution:
Closed:
2014-06-11 14:23 Brendan MacLean
Title»Improve access to optimization values in Skyline UI
Assigned To»Brendan MacLean
Type»Todo
Area»Skyline
Priority»3
It should be possible to get actual optimization values in reports and to see them in the graphs.

2022-02-16 10:46 Brendan MacLean
Assigned ToBrendan MacLean»Nick Shulman
Milestone»22.1
It is already possible to get the values in reports, which is great, and it is how I recently worked out that a small molecule CE optimization range extended below zero.

It would still be nice to be able to see these values in the graphs. We still only show "step -5" through "step 5" instead of ever showing the actual CE values now available in the reports.

We obviously have enough information to calculate this information, we should make it the default to show it in the legends of the plots instead of the "step #" text. Maybe we should keep that option too, but the default should be to show the actual CE values when more than "step 0" is going to be added to the legend.